ChemSpider 2D Image | 20,21,25-Trimethoxy-16,30-dimethyl-7,23-dioxa-16,30-diazaheptacyclo[22.6.2.2~3,6~.1~8,12~.1~14,18~.0~22,33~.0~27,31~]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24,26,31,35-dodecaen-9-ol | C37H40N2O6

20,21,25-Trimethoxy-16,30-dimethyl-7,23-dioxa-16,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.022,33.027,31]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24,26,31,35-dodecaen-9-ol

  • Molecular FormulaC37H40N2O6
  • Average mass608.723 Da
  • Monoisotopic mass608.288635 Da
  • ChemSpider ID386691

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

20,21,25-Trimethoxy-16,30-dimethyl-7,23-dioxa-16,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.022,33.027,31]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24,26,31,35-dodecaen-9-ol [German] [ACD/IUPAC Name]
20,21,25-Trimethoxy-16,30-dimethyl-7,23-dioxa-16,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.022,33.027,31]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24,26,31,35-dodecaen-9-ol [ACD/IUPAC Name]
20,21,25-Triméthoxy-16,30-diméthyl-7,23-dioxa-16,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.022,33.027,31]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24,26,31,35-dodécaén-9-ol [French] [ACD/IUPAC Name]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC409664 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 705.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 380.4±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 173.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.16
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 267.04
ACD/KOC (pH 7.4): 1108.35
Polar Surface Area: 73 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 505.6±3.0 cm3

Click to predict properties on the Chemicalize site


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